N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4)NC1=O

InChI

InChI=1S/C21H20N4O2S/c26-20-7-10-28-19-6-5-17(11-18(19)24-20)21(27)23-12-15-1-3-16(4-2-15)13-25-9-8-22-14-25/h1-6,8-9,11,14H,7,10,12-13H2,(H,23,27)(H,24,26)